N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C18H20N4O3 — CID 156814046

IUPACN-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(C2CCOCC2)[nH]c2ccc(CNC(=O)c3ncon3)cc12
InChIInChI=1S/C18H20N4O3/c1-11-14-8-12(9-19-18(23)17-20-10-25-22-17)2-3-15(14)21-16(11)13-4-6-24-7-5-13/h2-3,8,10,13,21H,4-7,9H2,1H3,(H,19,23)
InChIKeyXDWWFQZHVZIADA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.68
Rot. Bonds4

About N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 156814046) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID156814046
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(C2CCOCC2)[nH]c2ccc(CNC(=O)c3ncon3)cc12
InChIInChI=1S/C18H20N4O3/c1-11-14-8-12(9-19-18(23)17-20-10-25-22-17)2-3-15(14)21-16(11)13-4-6-24-7-5-13/h2-3,8,10,13,21H,4-7,9H2,1H3,(H,19,23)
InChIKeyXDWWFQZHVZIADA-UHFFFAOYSA-N
XLogP2.68
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 156814046) is N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is Cc1c(C2CCOCC2)[nH]c2ccc(CNC(=O)c3ncon3)cc12.
What is the InChIKey of N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XDWWFQZHVZIADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-14-8-12(9-19-18(23)17-20-10-25-22-17)2-3-15(14)21-16(11)13-4-6-24-7-5-13/h2-3,8,10,13,21H,4-7,9H2,1H3,(H,19,23).
What are the key properties of N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 156814046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).